peptide ppm delta added in spectra sheet

src/output/ods/spectrasheet.cpp

@@ -34,7 +34,8 @@
 
 SpectraSheet::SpectraSheet(OdsExport *p_ods_export,
                            CalcWriterInterface *p_writer,
-                           const Project *p_project, const QString &sheet_name)
+                           const Project *p_project,
+                           const QString &sheet_name)
   : _p_project(p_project)
 {
   _p_ods_export = p_ods_export;
@@ -113,6 +114,7 @@ SpectraSheet::writeHeaders(IdentificationGroup *p_ident)
   _p_writer->writeCell("Best E-value");
   _p_writer->writeCell("Best hyperscore");
   writeCellHeader(PeptideListColumn::delta_mhplus);
+  writeCellHeader(PeptideListColumn::delta_ppm);
 }
 
 void
@@ -160,6 +162,7 @@ SpectraSheet::writeBestPeptideEvidence(
     p_peptide_evidence->getParam(PeptideEvidenceParam::tandem_hyperscore)
       .toDouble());
   _p_writer->writeCell(p_peptide_evidence->getDeltaMass());
+  _p_writer->writeCell(p_peptide_evidence->getPpmDeltaMass());
 }
 
 void
@@ -175,7 +178,8 @@ SpectraSheet::writeIdentificationGroup(IdentificationGroup *p_ident)
         group_pair.second.get()->getPeptideEvidenceList();
 
       std::sort(
-        peptide_evidence_list.begin(), peptide_evidence_list.end(),
+        peptide_evidence_list.begin(),
+        peptide_evidence_list.end(),
         [](const PeptideEvidence *a, const PeptideEvidence *b) {
           unsigned int arank = a->getGrpPeptideSp().get()->getRank();
           unsigned int ascan = a->getScan();
@@ -204,8 +208,8 @@ SpectraSheet::writeIdentificationGroup(IdentificationGroup *p_ident)
           if(std::tie(arank,
                       p_best_peptide_evidence->getMsRunP()->getSampleName(),
                       ascan) !=
-             std::tie(brank, peptide_evidence->getMsRunP()->getSampleName(),
-                      bscan))
+             std::tie(
+               brank, peptide_evidence->getMsRunP()->getSampleName(), bscan))
             {
               // write p_best_peptide_match
               writeBestPeptideEvidence(group_pair.second.get(),